KEGG   DRUG: Trovafloxacin
Entry
D08654                      Drug                                   
Name
Trovafloxacin (INN)
Formula
C20H15F3N4O3
Exact mass
416.1096
Mol weight
416.35
Structure
Simcomp
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Remark
Same as: C07664
ATC code: J01MA13
Chemical structure group: DG00625
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
Target
DNA gyrase [KO:K02469 K02470]
topoisomerase IV [KO:K02621 K02622]
Interaction
Structure map
map07014  Quinolones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA13 Trovafloxacin
      D08654  Trovafloxacin (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00625  Trovafloxacin
     D08654  Trovafloxacin
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    D08654  Trovafloxacin (INN)
Prodrugs [br08324.html]
 D08654
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00625  Trovafloxacin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    DG00625  Trovafloxacin
Other DBs
CAS: 147059-72-1
PubChem: 96025337
ChEBI: 9763
PDB-CCD: TR6[PDBj]
LigandBox: D08654
NIKKAJI: J785.495A
LinkDB
KCF data

ATOM        30
            1   C8y C    25.6900  -16.5200
            2   N4y N    26.8100  -17.2200
            3   C8y C    25.6900  -15.1200
            4   N5x N    24.4300  -17.2200
            5   C8y C    26.8100  -18.6200
            6   C8x C    28.0000  -16.5200
            7   C8y C    26.7400  -14.4200
            8   C8x C    24.4300  -14.4200
            9   C8y C    23.2400  -16.5200
            10  C8y C    28.0700  -19.3200
            11  C8x C    25.6900  -19.3200
            12  C8y C    28.0000  -15.1200
            13  O5x O    26.7400  -13.0200
            14  C8y C    23.2400  -15.1200
            15  N1y N    22.0500  -17.2900
            16  C8x C    28.0700  -20.7900
            17  X   F    29.2600  -18.6200
            18  C8x C    25.6900  -20.7200
            19  C6a C    29.1900  -14.4200
            20  X   F    22.0500  -14.4200
            21  C8y C    26.8100  -21.4200
            22  O6a O    30.3800  -15.1200
            23  O6a O    29.1900  -13.0200
            24  X   F    26.8100  -22.8200
            25  C1x C    20.7200  -16.7300
            26  C1y C    19.8100  -17.8500
            27  C1y C    20.5800  -19.0400
            28  C1x C    22.0500  -18.6900
            29  C1y C    19.1800  -19.0400
            30  N1a N    17.9200  -19.6700
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 2
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   16  21 2
            21   19  22 1
            22   19  23 2
            23   21  24 1
            24    7  12 1
            25    9  14 1
            26   18  21 1
            27   15  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   15  28 1
            32   26  29 1
            33   29  27 1
            34   29  30 1 #Down

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